SCHEMBL1005147

SCHEMBL1005147

CC(C)(CC(=O)Cl)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 6/20 0.38
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
ACLY P53396 1/20 0.37
TP53 P04637 2/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
TET2 Q6N021 1/20 0.34
FFAR3 O14843 1/20 0.33
KDM4E B2RXH2 1/20 0.32
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL1002901 0.80 TSHR (0.41) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL9458391 0.79 TET2 (0.41) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL25269996 0.77 TSHR (0.46) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL83915 0.77 TSHR (0.60) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Hydrochloric Acid SCHEMBL4137653 0.77 TSHR (0.60) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL9737294 0.76 TDP1 (0.45) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Pivalate SCHEMBL2718295 0.76 TSHR (0.40) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Ammonia Solution, Strong SCHEMBL10868076 0.74 TSHR (0.57) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL8844260 0.74 TSHR (0.57) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL14879687 0.74 TSHR (0.43) TSHRCYP2D6CYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144069-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2011-06-16 US disclosed
CN-101981025-A Diarylmethylamide derivative having antagonistic activity on melanin-concentrating hormone receptor BANYU PHARMA CO LTD 2011-02-23 CN disclosed
US-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM BANYU PHARMACEUTICAL CO., INC. 2011-01-20 US disclosed
EP-2272841-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR Banyu Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP disclosed
US-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2009-04-23 US disclosed
WO-2008115281-A2 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INC. (US) 2008-09-25 WO disclosed
US-20080207573-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2008-08-28 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 (4 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-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 TSHR 4841/4885CYP2D6 2444/4885CYP2C19 2643/4885
US-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MC1R, MCHR2, MCHR1 TSHR 23/4885CYP2D6 229/4885CYP2C19 575/4885
US-20080207573-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 TSHR 4841/4885CYP2D6 2444/4885CYP2C19 2643/4885
US-20110144069-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 TSHR 4841/4885CYP2D6 2444/4885CYP2C19 2643/4885

“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.