SCHEMBL701972

SCHEMBL701972

COc1cc(C(F)(F)F)cc(S(=O)(=O)Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
TMPRSS4 Q9NRS4 2/20 0.39
GAA P10253 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MDM2 Q00987 1/20 0.36
EPHX2 P34913 1/20 0.36
HSD11B1 P28845 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL67742 0.81 CES2 (0.48) CNR1GAAKMT2AALOX15ALDH1A1
SCHEMBL3038765 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2
SCHEMBL11881437 0.81 ALDH1A1 (0.46) GAAALDH1A1
SCHEMBL5782136 0.77 ALDH1A1 (0.58) RXRARXRBRXRGTMPRSS4HDAC3
SCHEMBL679095 0.77 ALDH1A1 (0.50) RXRARXRBRXRGTMPRSS4HDAC3
SCHEMBL18331985 0.77 FFAR4 (0.41) ALDH1A1
SCHEMBL12268183 0.77 RAPGEF4 (0.37) GAAKMT2AMEN1MAPK1NOTUM
SCHEMBL3593036 0.76 NOTUM (0.60) CNR1GAANOTUMKDM4EALDH1A1
SCHEMBL2852652 0.74 FFAR4 (0.42) ALDH1A1TP53
SCHEMBL2055460 0.74 ACLY (0.44) GAANOTUMNPSR1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8263656-B2 Substituted aminotetralines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 US disclosed
US-8263656-B2 Substituted aminotetralines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 US disclosed
US-8263656-B2 Substituted aminotetralines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
WO-2010018109-A2 SUBSTITUTED AMINOTETRALINES F. HOFFMANN-LA ROCHE AG (CH) 2010-02-18 WO disclosed
WO-2010018109-A2 SUBSTITUTED AMINOTETRALINES F. HOFFMANN-LA ROCHE AG (CH) 2010-02-18 WO disclosed
US-20100041713-A1 SUBSTITUTED AMINOTETRALINES FIROOZNIA FARIBORZ 2010-02-18 US disclosed
US-20100041713-A1 SUBSTITUTED AMINOTETRALINES FIROOZNIA FARIBORZ 2010-02-18 US disclosed
US-20100041713-A1 SUBSTITUTED AMINOTETRALINES FIROOZNIA FARIBORZ 2010-02-18 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
WO-2010006939-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
WO-2010006939-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 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 (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-20100041713-A1 SUBSTITUTED AMINOTETRALINES HRH4, HRH1, HRH2 CNR1 146/4885RXRA 1795/4885RXRB 1427/4885
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CNR1 244/4885RXRA 480/4885RXRB 666/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CNR1 244/4885RXRA 480/4885RXRB 666/4885

“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.