SCHEMBL5618974

SCHEMBL5618974

COC(=O)C1(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.57
▸ CTSL P07711 6/20 0.56
▸ CTSB P07858 3/20 0.56
▸ CTSS P25774 3/20 0.56
▸ CTSK P43235 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.53
▸ ALOX15 P16050 1/20 0.53

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
SCHEMBL14620116 0.94 TACR1 (0.52) TACR1CTSLCTSBCTSSCTSK
SCHEMBL3827103 0.87 CTSK (0.50) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7702259 0.80 TRPM8 (0.47) TACR1CTSLCTSBCTSSCTSK
SCHEMBL9545976 0.79 CTSL (0.69) TACR1CTSLCTSBCTSSCTSK
SCHEMBL9498759 0.79 TRPM8 (0.47) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7151822 0.79 ALDH1A1 (0.74) TACR1CTSLCTSBCTSSCTSK
SCHEMBL329686 0.79 ALDH1A1 (0.74) TACR1CTSLCTSBCTSSCTSK
SCHEMBL5050481 0.78 CTSK (0.52) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10802556 0.78 CTSL (0.70) TACR1CTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL7928050 0.78 ALDH1A1 (0.72) TACR1CTSLCTSBCTSSCTSK

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
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 — — US disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 — — US disclosed
US-7037912-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2006-05-02 — — US disclosed
US-20050261318-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2005-11-24 — — US disclosed
US-20040235870-A1 Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease THERAVANCE BIOPHARMA R&D IP, LLC 2004-11-25 — — US disclosed
US-6750241-B2 Protein kinase inhibitors THERAVANCE, INC. 2004-06-15 — — US disclosed
US-20020177600-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-11-28 — — US disclosed
US-20020002169-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-01-03 — — US disclosed
WO-2001042243-A2 PROTEIN KINASE INHIBITORS ADVANCED MEDICINE, INC. (US) 2001-06-14 — — 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 (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-20020177600-A1 Protein kinase inhibitors MAP3K20, MAP3K9, MAP3K6 TACR1 4265/4885CTSL 3925/4885CTSB 2565/4885
US-20020002169-A1 Protein kinase inhibitors MAP3K20, MAP3K6, MAP4K2 TACR1 4384/4885CTSL 3656/4885CTSB 2453/4885
US-20050261318-A1 Protein kinase inhibitors MAP3K20, MAP3K6, MAP4K2 TACR1 4384/4885CTSL 3656/4885CTSB 2453/4885
US-20040235870-A1 Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease UACA, PRKDC, CDK2 TACR1 4254/4885CTSL 1771/4885CTSB 898/4885

“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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