SCHEMBL20577705

SCHEMBL20577705

COc1cccc(OC)c1-c1cccc(C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.50
HTR2C P28335 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLL Q9UGP5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 3/20 0.40
HTR1A P08908 2/20 0.40
RPS6KA2 Q15349 1/20 0.40
S1PR1 P21453 1/20 0.39
NR3C1 P04150 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL29396495 1.00 ABCB1 (0.50) ABCB1HTR2CMEN1KMT2APOLL
Phosphine SCHEMBL11895753 0.93 ABCB1 (0.45) ABCB1HTR2CMEN1KMT2APOLL
SCHEMBL28204910 0.85 ABCB1 (0.60) ABCB1HTR2CMEN1KMT2APOLL
SCHEMBL21820012 0.85 ABCB1 (0.43) ABCB1HTR2CMEN1KMT2APOLL
SCHEMBL29392064 0.84 ADRA2A (0.41) ABCB1HTR2CHTR1APTGDR2
SCHEMBL22275 0.84 ABCB1 (0.47) ABCB1HTR2CMEN1KMT2APOLL
SCHEMBL30645476 0.84 HTR1A (0.42) ABCB1HTR2CMEN1KMT2APOLL
SCHEMBL27901929 0.84 ABCB1 (0.46) ABCB1MEN1KMT2ADRD2HTR1A
SCHEMBL21820014 0.81 HTR2C (0.43) ABCB1HTR2CMEN1KMT2APOLL
SCHEMBL28167754 0.79 ABCB1 (0.42) ABCB1MEN1KMT2APOLLDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813600-A Organic electroluminescent material and device thereof 北京夏禾科技有限公司 2023-09-29 CN disclosed
EP-3412660-B9 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EA PHARMA CO LTD (JP) 2021-04-14 EP disclosed
EP-3412660-B1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EA PHARMA CO LTD (JP) 2020-11-18 EP disclosed
US-10562898-B2 Substituted benzenesulfonamides as inhibitors of alpha-4 beta-7 integrin activity EA PHARMA CO., LTD. (JP) 2020-02-18 US disclosed
US-20190040059-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EA PHARMA CO., LTD. (JP) 2019-02-07 US disclosed
EP-3412660-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EA Pharma Co., Ltd. (JP) 2018-12-12 EP 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-10562898-B2 Substituted benzenesulfonamides as inhibitors of alpha-4 beta-7 integrin activity ITGB4, ITGB7, ITGA4 ABCB1 726/4885HTR2C 2886/4885MEN1 4090/4885
US-20190040059-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME ITGB4, ITGB5, ITGA4 ABCB1 617/4885HTR2C 1752/4885MEN1 3623/4885

“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.