SCHEMBL9977360

SCHEMBL9977360

O=C(CBr)c1ccc2c(c1)oc1cc(C(=O)COC(=O)C3CCCC3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TSHR P16473 1/20 0.49
MDM2 Q00987 1/20 0.49
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ATM Q13315 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
HTT P42858 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GNG2 P59768 1/20 0.36

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
SCHEMBL9977357 0.89 ALDH1A1 (0.48) ALDH1A1TSHRMDM2RAB9ANPC1
SCHEMBL9977160 0.79 ALDH1A1 (0.47) ALDH1A1TSHRMDM2RAB9ANPC1
SCHEMBL204756 0.79 PTPN1 (0.50) ALDH1A1MAPTHTTSMN1; SMN2KDM4E
SCHEMBL16352856 0.76 ALDH1A1 (0.60) ALDH1A1TSHRMDM2RAB9ANPC1
SCHEMBL14982455 0.76 ALDH1A1 (0.47) ALDH1A1TSHRMDM2RAB9ANPC1
SCHEMBL9977356 0.76 ALDH1A1 (0.47) ALDH1A1TSHRMDM2RAB9ANPC1
SCHEMBL204799 0.76 ALDH1A1 (0.47) ALDH1A1TSHRNPC1HPGDKMT2A
SCHEMBL2707843 0.76 ALDH1A1 (0.47) ALDH1A1TSHRNPC1HPGDKMT2A
SCHEMBL9977511 0.76 MAPT (0.37) ALDH1A1TSHRMDM2RAB9ANPC1
SCHEMBL9977370 0.74 PREP (0.43) ALDH1A1TSHRMDM2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (7 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885TSHR 4853/4885MDM2 960/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885TSHR 4853/4885MDM2 960/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885TSHR 4853/4885MDM2 960/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885TSHR 4853/4885MDM2 960/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885TSHR 4853/4885MDM2 960/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885TSHR 4853/4885MDM2 960/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885TSHR 4853/4885MDM2 960/4885

“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.