SCHEMBL10192207

SCHEMBL10192207

CCCS(=O)(=O)Nc1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.51
PTGS1 P23219 1/20 0.50
PARP14 Q460N5 1/20 0.49
PSIP1 O75475 1/20 0.49
KCNA5 P22460 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
BRD4 O60885 1/20 0.46
KEAP1 Q14145 1/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 2/20 0.44
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL16301359 0.89 PARP14 (0.51) TP53PARP14PSIP1ALDH1A1BRD4
SCHEMBL12962542 0.86 PSIP1 (0.63) PTGS1PARP14PSIP1ALDH1A1KEAP1
SCHEMBL17269669 0.86 KDM4E (0.50) PARP14KDM4E
Hydrochloric Acid SCHEMBL21633734 0.82 PSIP1 (0.46) PSIP1ALDH1A1KEAP1MAPTTSHR
SCHEMBL21686841 0.82 CA12 (0.46) PTGS1PSIP1ALDH1A1KEAP1MAPT
SCHEMBL28215783 0.81 PARP14 (0.52) TP53PTGS1PARP14PSIP1KCNA5
SCHEMBL14818772 0.81 ALDH1A1 (0.44) PSIP1ALDH1A1KEAP1MAPTSMN1; SMN2
SCHEMBL12459797 0.80 PSIP1 (0.77) TP53PTGS1PARP14PSIP1KCNA5
SCHEMBL15915643 0.80 PARP14 (0.48) TP53PTGS1PARP14PSIP1KCNA5
SCHEMBL11225273 0.79 TSHR (0.47) TP53PTGS1PARP14ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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 (6 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT TP53 4768/4885PTGS1 367/4885PARP14 3605/4885
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 TP53 1182/4885PTGS1 921/4885PARP14 1224/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS TP53 1579/4885PTGS1 303/4885PARP14 4221/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS TP53 3022/4885PTGS1 440/4885PARP14 2664/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS TP53 1262/4885PTGS1 757/4885PARP14 3960/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS TP53 1262/4885PTGS1 757/4885PARP14 3960/4885

“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.