SCHEMBL14950880

SCHEMBL14950880

CNC(Cc1c[nH]c2c(C)cccc12)C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.57
ITGB2 P05107 2/20 0.50
ICAM1 P05362 2/20 0.50
ITGAL P20701 2/20 0.50
BRPF1 P55201 1/20 0.50
NR3C1 P04150 2/20 0.49
HTR2A P28223 1/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NR4A2 P43354 1/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
PCSK9 Q8NBP7 1/20 0.43
POLB P06746 3/20 0.43
TP53 P04637 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TNF P01375 1/20 0.42
MEN1 O00255 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24042700 1.00 SOS2 (0.57) SOS2ITGB2ICAM1ITGALBRPF1
SCHEMBL24975589 1.00 SOS2 (0.57) SOS2ITGB2ICAM1ITGALBRPF1
SCHEMBL27429060 0.90 ITGB2 (0.59) SOS2ITGB2ICAM1ITGALBRPF1
SCHEMBL30955892 0.90 ITGB2 (0.59) SOS2ITGB2ICAM1ITGALBRPF1
SCHEMBL21392024 0.90 ITGB2 (0.59) SOS2ITGB2ICAM1ITGALBRPF1
SCHEMBL28516953 0.82 ITGB2 (0.63) SOS2ITGB2ICAM1ITGALBRPF1
SCHEMBL28516957 0.82 ITGB2 (0.63) SOS2ITGB2ICAM1ITGALBRPF1
SCHEMBL22989842 0.81 SOS2 (0.51) SOS2ITGB2ICAM1ITGALNR3C1
SCHEMBL10068458 0.81 SOS2 (0.68) SOS2ITGB2ICAM1ITGALBRPF1
SCHEMBL27431642 0.81 ITGB2 (0.58) SOS2ITGB2ICAM1ITGALBRPF1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2023-11-23 US disclosed
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
US-20230119612-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-04-20 US disclosed
EP-3052121-B1 WNT COMPOSITIONS AND METHODS FOR PURIFICATION UNIV LELAND STANFORD JUNIOR (US) 2023-02-22 EP disclosed
US-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-01-26 US disclosed
US-20220133893-A1 Therapeutic Nanomaterials UNIVERSITY OF CONNECTICUT 2022-05-05 US disclosed
WO-2022081721-A1 NANOMATERIAL AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2022-04-21 WO disclosed
US-20220000968-A1 PEPTIDOMIMETIC MACROCYCLES HOFFMAN-LA ROCHE, INC. 2022-01-06 US disclosed
US-20210299211-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2021-09-30 US disclosed
US-11008366-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2021-05-18 US disclosed
WO-2015051122-A2 WNT COMPOSITIONS AND METHODS FOR PURIFICATION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-04-09 WO disclosed
US-8987414-B2 Triazole-crosslinked and thioether-crosslinked peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
US-20150051155-A1 PEPTIDOMIMETIC MACROCYCLES HOFFMANN-LA ROCHE, INC. 2015-02-19 US disclosed
US-8927500-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2015-01-06 US disclosed
US-20140378390-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2014-12-25 US disclosed
US-8859723-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2014-10-14 US disclosed
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-10-17 US disclosed
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20130210743-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-08-15 US disclosed
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-05-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 SOS2 1976/4885ITGB2 4698/4885ICAM1 3533/4885
US-20130210743-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP SOS2 2968/4885ITGB2 4513/4885ICAM1 2436/4885
US-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP SOS2 3108/4885ITGB2 3009/4885ICAM1 1904/4885
US-20220133893-A1 Therapeutic Nanomaterials TIE1, TEKT1, POLRMT SOS2 2074/4885ITGB2 2466/4885ICAM1 99/4885
US-20230119612-A1 PEPTIDOMIMETIC MACROCYCLES TP53, MDM2, MDM4 SOS2 2246/4885ITGB2 4628/4885ICAM1 2383/4885
US-20230372536-A1 NANOMATERIAL AND METHODS OF USE THEREOF ILK, EPCAM, MMP8 SOS2 1473/4885ITGB2 53/4885ICAM1 5/4885
US-20210299211-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 SOS2 1976/4885ITGB2 4698/4885ICAM1 3533/4885
US-20150051155-A1 PEPTIDOMIMETIC MACROCYCLES TP53, MDM2, MDM4 SOS2 2246/4885ITGB2 4628/4885ICAM1 2383/4885
US-20140378390-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP SOS2 2968/4885ITGB2 4513/4885ICAM1 2436/4885
US-11008366-B2 Peptidomimetic macrocycles GLP1R, PROKR1, VIP SOS2 2968/4885ITGB2 4513/4885ICAM1 2436/4885
US-20220000968-A1 PEPTIDOMIMETIC MACROCYCLES TP53, MDM2, MDM4 SOS2 2246/4885ITGB2 4628/4885ICAM1 2383/4885
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM SOS2 2891/4885ITGB2 4832/4885ICAM1 4009/4885
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES IL33, TPR, CDC37 SOS2 3369/4885ITGB2 1975/4885ICAM1 980/4885
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES PROKR1, GLP1R, PROKR2 SOS2 2984/4885ITGB2 3941/4885ICAM1 3010/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.