SCHEMBL6723893

SCHEMBL6723893

Cc1cc(C(=O)O)c(C)c2c1S(=O)(=O)CC2(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ABCC1 P33527 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RXRA P19793 8/20 0.33
RXRG P48443 5/20 0.33
RXRB P28702 4/20 0.33
RARA P10276 3/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
CYP26A1 O43174 1/20 0.31
ABCB11 O95342 1/20 0.31
ESR1 P03372 1/20 0.31
PGR P06401 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL6725582 0.85 RXRA (0.34) KDM4EMEN1KMT2AABCC1TDP1
SCHEMBL8122242 0.81 RXRA (0.33) KDM4EMEN1KMT2AABCC1TDP1
SCHEMBL8137314 0.74 CYP3A4 (0.33) KDM4EABCC1RXRARXRGRXRB
SCHEMBL6732599 0.73 SMN1; SMN2 (0.35) MEN1KMT2AHPGDALDH1A1
SCHEMBL6721354 0.72 RXRA (0.33) KDM4EMEN1KMT2AABCC1RXRA
SCHEMBL6725367 0.72 RXRA (0.35) KDM4EMEN1KMT2ATDP1RXRA
SCHEMBL8351478 0.72 ABCC1 (0.34) ABCC1RXRARXRGRXRB
SCHEMBL8399431 0.72 MAPT (0.31) HPGDHSD17B10MAPT
SCHEMBL8120542 0.70 SPR (0.32)
SCHEMBL6772501 0.69 KDM4E (0.35) KDM4EMEN1KMT2AABCC1TDP1

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-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
EP-0810226-B1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN CO (JP) 2003-05-02 EP disclosed
US-20020133024-A1 Aromatic carboxylic acid bicyclic sulfur compounds IDEMITSU KOSAN COMPANY, LIMITED (JP) 2002-09-19 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 (3 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 KDM4E 3095/4885MEN1 4319/4885KMT2A 2204/4885
US-20010051733-A1 Aromatic carboxylic acid bicyclic sulfur compounds XDH, SULT2A1, NAT1 KDM4E 3095/4885MEN1 4319/4885KMT2A 2204/4885
US-20020133024-A1 Aromatic carboxylic acid bicyclic sulfur compounds XDH, SULT2A1, NAT1 KDM4E 3095/4885MEN1 4319/4885KMT2A 2204/4885

“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.