SCHEMBL905508

SCHEMBL905508

CC(C)(C)c1[c]cc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.36
TRPV1 Q8NER1 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31
MGLL Q99685 1/20 0.31
LMNA P02545 1/20 0.30
TYR P14679 1/20 0.30

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
SCHEMBL221733 0.84 ALDH1A1 (0.36) KIF11TSHRALDH1A1CES2CES1
SCHEMBL227931 0.84 TSHR (0.40) KIF11TSHRALDH1A1LMNATYR
SCHEMBL192799 0.73 ALDH1A1 (0.35) KIF11TSHRALDH1A1CES2CES1
SCHEMBL16166891 0.73 ACHE (0.31)
SCHEMBL29058847 0.72 KIF11 (0.47) KIF11TSHRALDH1A1LMNATYR
SCHEMBL28266024 0.70
SCHEMBL60519 0.70 ALDH1A1 (0.36) KIF11TSHRALDH1A1CES2CES1
SCHEMBL956938 0.70 TSHR (0.40) TSHR
SCHEMBL5115414 0.69 CCNE2 (0.36) KIF11TRPV1
SCHEMBL17046271 0.69 TRPV1 (0.36) KIF11TRPV1TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161514-A1 AZASTEROIDS FOR TREATMENT OF TUBERCULOSIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-05-30 US claimed
WO-2017190034-A1 AZASTEROIDS FOR TREATMENT OF TUBERCULOSIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-11-02 WO claimed
US-20110172258-A9 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS AQUINOX PHARMACEUTICALS INC. (CA) 2011-07-14 US claimed
CN-102001916-A Indene derivatives as pharmaceutical agents 2011-04-06 CN claimed
EP-1615866-B1 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS AQUINOX PHARMACEUTICALS INC (CA) 2011-02-16 EP claimed
US-20100152220-A1 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS AQUINOX PHARMACEUTICALS INC. (CA) 2010-06-17 US claimed
CN-1805915-A Indene derivatives as pharmaceutically active agents INFLAZYME PHARM LTD (CA) 2006-07-19 CN claimed
US-20050004086-A1 Antiinflammatory agents; antiarthritic agents; brain disorders; multiple sclerosis; gout; inflammatory bowel disorders; gastrointestinal disorders; psoriasis; antiallergens; autoimmune disease INFLAZYME PHARMACEUTICALS LTD. (CA) 2005-01-06 US claimed
EP-0785943-A1 SYNTHESIS OF 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1997-07-30 EP claimed
US-5541322-A Synthesis of 6-azaandrostenones GLAXO WELLCOME INC. (US) 1996-07-30 US claimed
WO-1996011939-A1 SYNTHESIS OF 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1996-04-25 WO claimed
US-11072633-B2 Azasteroids for treatment of tuberculosis THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-07-27 US disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-20190161514-A1 AZASTEROIDS FOR TREATMENT OF TUBERCULOSIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-05-30 US disclosed
CN-109790200-A For treating the azasteroid of tuberculosis 纽约州立大学研究基金会 2019-05-21 CN disclosed
US-20110009439-A1 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS AQUINOX PHARMACEUTICALS INC. (CA) 2011-01-13 US disclosed
US-20100152220-A1 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS AQUINOX PHARMACEUTICALS INC. (CA) 2010-06-17 US disclosed
US-7601874-B2 Antiinflammatory agents; antiarthritic agents; brain disorders; multiple sclerosis; gout; inflammatory bowel disorders; gastrointestinal disorders; psoriasis; antiallergens; autoimmune disease AQUINOX PHARMACEUTICALS INC. (CA) 2009-10-13 US disclosed
CN-1805915-A Indene derivatives as pharmaceutically active agents INFLAZYME PHARM LTD (CA) 2006-07-19 CN disclosed
US-20050004086-A1 Antiinflammatory agents; antiarthritic agents; brain disorders; multiple sclerosis; gout; inflammatory bowel disorders; gastrointestinal disorders; psoriasis; antiallergens; autoimmune disease INFLAZYME PHARMACEUTICALS LTD. (CA) 2005-01-06 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 (6 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-20190161514-A1 AZASTEROIDS FOR TREATMENT OF TUBERCULOSIS CYP51A1, HSD17B13, HSD17B1 KIF11 2861/4885TRPV1 4603/4885TSHR 914/4885
US-11072633-B2 Azasteroids for treatment of tuberculosis CYP51A1, HSD17B13, HSD17B1 KIF11 2861/4885TRPV1 4603/4885TSHR 914/4885
US-20110009439-A1 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS INSR, INSRR, F12 KIF11 2640/4885TRPV1 1744/4885TSHR 988/4885
US-20100152220-A1 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS INSR, INSRR, F12 KIF11 2569/4885TRPV1 1783/4885TSHR 998/4885
US-20110172258-A9 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS INSR, INSRR, F12 KIF11 2569/4885TRPV1 1783/4885TSHR 998/4885
US-20050004086-A1 Antiinflammatory agents; antiarthritic agents; brain disorders; multiple sclerosis; gout; inflammatory bowel disorders; gastrointestinal disorders; psoriasis; antiallergens; autoimmune disease IDO1, URB2, ARG1 KIF11 4124/4885TRPV1 1257/4885TSHR 961/4885

“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.