SCHEMBL6723758

SCHEMBL6723758

CCn1ncc(C(=O)c2ccc3c(c2C)CCCS3(=O)=O)c1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BLM P54132 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL6983233 0.84 LMNA (0.35) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL7684133 0.82 SMN1; SMN2 (0.33) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL8427367 0.81 RAB9A (0.33) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL6723779 0.81 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1GAAHTT
SCHEMBL6732019 0.80 LMNA (0.35) LMNAALDH1A1TSHR
SCHEMBL8121496 0.80 SMN1; SMN2 (0.32) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL8120654 0.79 RAB9A (0.34) LMNASMN1; SMN2RAB9A
SCHEMBL8303808 0.78 RAB9A (0.31) LMNASMN1; SMN2RAB9A
SCHEMBL8134206 0.78 RAB9A (0.33) LMNASMN1; SMN2RAB9A
SCHEMBL8132414 0.78 SMN1; SMN2 (0.33) LMNASMN1; SMN2RAB9AALDH1A1GAA

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-6677460-B1 Aromatic carboxylic acid bicyclic sulfur compounds IDEMITSU KOSAN COMPANY, LIMITED (JP) 2004-01-13 US disclosed
US-20030236421-A1 AROMATIC CARBOXYLIC ACID BICYCLIC SULFUR COMPOUNDS IDEMITSU KOSAN COMPANY, LIMITED (JP) 2003-12-25 US disclosed
US-20010051733-A1 Aromatic carboxylic acid bicyclic sulfur compounds IDEMITSU KOSAN COMPANY, LIMITED (JP) 2001-12-13 US disclosed
US-6136755-A HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 2000-10-24 US disclosed
US-6103668-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-08-15 US disclosed
US-6063936-A CARBOXY SUBSTITUTED BENZOTHIOPHENES USED AS HERBICIDE IDEMITSU KOSAN CO., LTD. (JP) 2000-05-16 US disclosed
US-5767289-A HERBICIDE INTERMEDIATES IDEMITSU KOSAN COMPANY, LIMITED (JP) 1998-06-16 US disclosed
EP-0810226-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-12-03 EP disclosed
US-5607898-A HERBICIDES IDEMITSU KOSAN COMPANY, LTD. (JP) 1997-03-04 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 (2 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-20030236421-A1 AROMATIC CARBOXYLIC ACID BICYCLIC SULFUR COMPOUNDS XDH, SULT2A1, NAT1 LMNA 4586/4885SMN1; SMN2 3397/4885RAB9A 2907/4885
US-20010051733-A1 Aromatic carboxylic acid bicyclic sulfur compounds XDH, SULT2A1, NAT1 LMNA 4586/4885SMN1; SMN2 3397/4885RAB9A 2907/4885

“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.