SCHEMBL16698228

SCHEMBL16698228

O=S(=O)(c1ccccc1)n1cc(I)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.43
▸ KIF11 P52732 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ BRD4 O60885 1/20 0.39

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
SCHEMBL2110801 0.83 HTR6 (0.49) HTR6LMNASMN1; SMN2CYP3A4HTR2A
SCHEMBL31319630 0.82 HTR6 (0.41) HTR6KIF11PPARGPPARALMNA
SCHEMBL21805760 0.81 AKR1C3 (0.49) HTR6LMNASMN1; SMN2CYP3A4HTR2A
SCHEMBL17097143 0.81 HTR6 (0.56) HTR6LMNASMN1; SMN2CYP3A4HTR2A
SCHEMBL5350219 0.79 HTR6 (0.64) HTR6LMNASMN1; SMN2
SCHEMBL16697690 0.79 HTR6 (0.46) HTR6LMNASMN1; SMN2CYP3A4HTR2A
SCHEMBL6039702 0.77 HTR6 (0.53) HTR6LMNASMN1; SMN2CYP3A4HTR2A
SCHEMBL19848304 0.76 ALDH3A1 (0.53) PPARGPPARALMNAHTT
SCHEMBL45741 0.75 HTR6 (0.63) HTR6LMNACYP3A4HTR2AHTT
SCHEMBL31319736 0.75 HTR6 (0.63) HTR6LMNACYP3A4HTR2AHTT

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
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-09-15 — — US disclosed
EP-3066090-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE iTeos Therapeutics (BE) 2016-09-14 — — EP disclosed
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-11-19 — — US disclosed
US-9126984-B2 4-(indol-3-yl)-pyrazole derivatives, pharmaceutical compositions and methods for use ITEOS THERAPEUTICS SA (BE) 2015-09-08 — — US disclosed
WO-2015067782-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-05-14 — — WO disclosed
US-20150133422-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS SA (BE) 2015-05-14 — — 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-20150133422-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 101/4885KIF11 2605/4885PPARG 1134/4885
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, TPH1 HTR6 84/4885KIF11 1853/4885PPARG 473/4885
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 144/4885KIF11 2118/4885PPARG 826/4885

“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.

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