SCHEMBL6205306

SCHEMBL6205306

O=C1CCCS(=O)(=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KMT2A Q03164 3/20 0.44
MDM2 Q00987 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
GPR3 P46089 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
GRM5 P41594 1/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.37
USP2 O75604 1/20 0.37
CA1 P00915 1/20 0.37
LMNA P02545 1/20 0.37
BCHE P06276 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL2675124 0.88 KMT2A (0.46) CYP2A6MAOAMAOBKMT2AMDM2
Cyclopropane SCHEMBL2363143 0.76 TSHR (0.42) CYP2A6MAOAMAOBCA2CA9
SCHEMBL181753 0.75 PLCG1 (0.47) KMT2AMDM2CTDSP1GPR3TDP1
Cyclopropane SCHEMBL2363620 0.74 TSHR (0.41) CYP2A6MAOAMAOBCA2CA9
SCHEMBL31655439 0.74 TSHR (0.44) CYP2A6MAOAMAOBGPR3MAPT
SCHEMBL255956 0.74 TSHR (0.44) CYP2A6MAOAMAOBGPR3MAPT
Methane SCHEMBL10428157 0.72 TSHR (0.42) CYP2A6MAOAMAOBCA2CA9
SCHEMBL10196638 0.71 KMT2A (0.46) KMT2AGPR3TDP1MAPTCA2
SCHEMBL3491681 0.71 KMT2A (0.41) CYP2A6MAOAMAOBKMT2AMDM2
SCHEMBL255968 0.69 GPR3 (0.46) KMT2AGPR3ALDH1A1MAPTCA2

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
EP-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
US-10800765-B2 Indole derivative used as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-10-13 US disclosed
US-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-08-15 US disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
EP-1098891-B1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2005-08-10 EP disclosed
EP-1098891-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-05-16 EP disclosed
US-6159996-A Polycyclic thiazolidin-2-ylidene amines, process for their preparation, and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-12 US disclosed
WO-2000004006-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed
US-3962261-A 2,3,4,5-TETRA HYDRO-5-OXO-1-BENZOTHIEPI N-4-CARBOXAMIDE 1,1-DIOXIDES WARNER-LAMBERT COMPANY (US) 1976-06-08 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-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR NR3C2, CRHR2, TPH2 CYP2A6 3776/4885MAOA 638/4885MAOB 568/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 CYP2A6 3776/4885MAOA 638/4885MAOB 568/4885

“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.