SCHEMBL14845690

SCHEMBL14845690

Cc1ccc2[nH]c(C(=O)NC(C)C)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.62
TP53 P04637 2/20 0.62
POLB P06746 1/20 0.62
ALOX15 P16050 1/20 0.59
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
RXFP1 Q9HBX9 2/20 0.59
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
FLT3 P36888 2/20 0.56
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56
MAPT P10636 1/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HRH4 Q9H3N8 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL24019699 0.88 ALOX15 (0.72) PIN1TP53POLBALOX15KDM4E
SCHEMBL2735968 0.85 FLT3 (0.61) ALOX15KDM4EALDH1A1FLT3PDGFRB
SCHEMBL17149620 0.84 TP53 (0.64) PIN1TP53POLBRAB9ANPC1
SCHEMBL13761503 0.84 MLLT1 (0.61) ALOX15RAB9ANPC1RXFP1KDM4E
SCHEMBL4802001 0.84 ALOX15 (0.79) ALOX15RXFP1FLT3HRH4MEN1
SCHEMBL14845702 0.83 PIN1 (0.68) PIN1TP53POLBALOX15RAB9A
SCHEMBL24019692 0.82 KDM4E (0.77) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL701279 0.82 TAS1R3 (0.75) PIN1TP53POLBRAB9ANPC1
SCHEMBL701278 0.82 TAS1R3 (0.75) PIN1TP53POLBRAB9ANPC1
SCHEMBL18750636 0.82 AR (0.54) PIN1TP53POLBRAB9ANPC1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 US disclosed
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 US disclosed
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 US disclosed
US-20150174098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-06-25 US disclosed
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMA (US) 2015-04-02 US disclosed
US-8952049-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-8952050-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 US disclosed
US-8623905-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 US disclosed
US-8575209-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vextex Pharmaceuticals Incorporated (US) 2013-07-11 US disclosed
US-8415387-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-09 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 (10 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-20150174098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PIN1 3215/4885TP53 3254/4885POLB 2183/4885
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 PIN1 3215/4885TP53 3254/4885POLB 2183/4885
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PIN1 3215/4885TP53 3254/4885POLB 2183/4885
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL PIN1 267/4885TP53 237/4885POLB 2487/4885
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PIN1 3215/4885TP53 3254/4885POLB 2183/4885
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PIN1 3215/4885TP53 3254/4885POLB 2183/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PIN1 3215/4885TP53 3254/4885POLB 2183/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PIN1 3215/4885TP53 3254/4885POLB 2183/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL PIN1 267/4885TP53 237/4885POLB 2487/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV PIN1 316/4885TP53 524/4885POLB 2188/4885

“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.